Glycoside
GD024212
Name:
NoneFormula:
C17H21O4N3SSmiles:
CN(Cc1cccnc1)C(=O)[C@H](O)[C@H](O)C(=O)NCCc1cccs1Aglycone:
CNCc1cccnc1.NCCc1cccs1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 363.44 | Num_heavy_atoms: | 25 |
| TPSA: | 102.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD02148
Formula: C6H9NS
Smiles:
NCCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.21 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
AD16182
Formula: C7H10N2
Smiles:
CNCc1cccnc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
